SCHEMBL1694136

SCHEMBL1694136

COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.51
FKBP1A P62942 1/20 0.50
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.48
CTRB1 P17538 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15215546 1.00 PREP (0.52) PREPNPSR1POLBFKBP1AALDH1A1
SCHEMBL1694132 1.00 PREP (0.52) PREPNPSR1POLBFKBP1AALDH1A1
SCHEMBL1694135 1.00 PREP (0.52) PREPNPSR1POLBFKBP1AALDH1A1
SCHEMBL5761224 0.91 PREP (0.50) PREPPOLBFKBP1ANPC1RAB9A
SCHEMBL2760307 0.91 PREP (0.52) PREPNPSR1FKBP1AALDH1A1NPC1
SCHEMBL2769697 0.89 PREP (0.60) PREPNPSR1FKBP1AALDH1A1NPC1
SCHEMBL1056362 0.89 PREP (0.60) PREPNPSR1FKBP1AALDH1A1NPC1
SCHEMBL636506 0.88 POLB (0.64) PREPNPSR1POLBFKBP1AALDH1A1
SCHEMBL4251706 0.88 POLB (0.64) PREPNPSR1POLBFKBP1AALDH1A1
SCHEMBL636507 0.88 POLB (0.64) PREPNPSR1POLBFKBP1AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA PREP 2008/4885NPSR1 2645/4885POLB 2258/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.